2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

C28H33N3O2 — CID 55381874

IUPAC2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)CC(=O)NC(Cc2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C28H33N3O2/c1-20-15-21(2)28(22(3)16-20)30-27(33)19-31(4)18-26(32)29-25(24-13-9-6-10-14-24)17-23-11-7-5-8-12-23/h5-16,25H,17-19H2,1-4H3,(H,29,32)(H,30,33)
InChIKeyAUYZCCQTFKMBRL-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.58
Rot. Bonds9

About 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 55381874) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID55381874
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)CC(=O)NC(Cc2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C28H33N3O2/c1-20-15-21(2)28(22(3)16-20)30-27(33)19-31(4)18-26(32)29-25(24-13-9-6-10-14-24)17-23-11-7-5-8-12-23/h5-16,25H,17-19H2,1-4H3,(H,29,32)(H,30,33)
InChIKeyAUYZCCQTFKMBRL-UHFFFAOYSA-N
XLogP4.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

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Related Compounds

2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8710584
methyl (2S)-2-[[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]amino]-3-phenylpropanoate
CID 8635364
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide
CID 8768418
2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8710546
2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113162045
(2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348881
N-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339495
3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide
CID 17498635
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 31380806
(2S)-2-methyl-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 793462
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 55381874) is 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)CC(=O)NC(Cc2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is AUYZCCQTFKMBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-20-15-21(2)28(22(3)16-20)30-27(33)19-31(4)18-26(32)29-25(24-13-9-6-10-14-24)17-23-11-7-5-8-12-23/h5-16,25H,17-19H2,1-4H3,(H,29,32)(H,30,33).
What are the key properties of 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 443.59 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 55381874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).